tert-butyl N-(4-methyl-3,5-dinitro-phenyl)carbamate

Systemtic Name: tert-butyl N-(4-methyl-3,5-dinitro-phenyl)carbamate Openeye Name: tert-butyl N-(4-methyl-3,5-dinitro-phenyl)carbamate CAS Name: N-(4-methyl-3,5-dinitrophenyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(4-methyl-3,5-dinitrophenyl)carbamate Traditional Name: N-(4-methyl-3,5-dinitro-phenyl)carbamic acid tert-butyl ester Formula: C12H15N3O6 MolecularWeight: 297.264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O6/c1-7-9(14(17)18)5-8(6-10(7)15(19)20)13-11(16)21-12(2,3)4/h5-6H,1-4H3,(H,13,16)